1-(4-bromophenyl)-5-(2-methylprop-1-enyl)-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-(4-bromophenyl)-5-(2-methylprop-1-enyl)-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(4-bromophenyl)-5-(2-methylprop-1-enyl)triazole-4-carboxylic acid CAS Name: 1-(4-bromophenyl)-5-(2-methylprop-1-enyl)-4-triazolecarboxylic acid IUPAC Name: 1-(4-bromophenyl)-5-(2-methylprop-1-enyl)triazole-4-carboxylic acid Traditional Name: 1-(4-bromophenyl)-5-(2-methylprop-1-enyl)triazole-4-carboxylic acid Formula: C13H12BrN3O2 MolecularWeight: 322.15728

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=C(N=NN1C2=CC=C(C=C2)Br)C(=O)O)C

Isomeric SMILES

CC(=CC1=C(N=NN1C2=CC=C(C=C2)Br)C(=O)O)C

InChI

InChI=1S/C13H12BrN3O2/c1-8(2)7-11-12(13(18)19)15-16-17(11)10-5-3-9(14)4-6-10/h3-7H,1-2H3,(H,18,19)